4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole

C11H8BrN3O — CID 103123681

IUPAC4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole
SMILESBrCc1ncoc1-c1cnn2ccccc12
InChIInChI=1S/C11H8BrN3O/c12-5-9-11(16-7-13-9)8-6-14-15-4-2-1-3-10(8)15/h1-4,6-7H,5H2
InChIKeyRZBJNJGZOXFCIK-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.88
Rot. Bonds2

About 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole

4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole (PubChem CID 103123681) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole
PubChem CID103123681
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole
SMILESBrCc1ncoc1-c1cnn2ccccc12
InChIInChI=1S/C11H8BrN3O/c12-5-9-11(16-7-13-9)8-6-14-15-4-2-1-3-10(8)15/h1-4,6-7H,5H2
InChIKeyRZBJNJGZOXFCIK-UHFFFAOYSA-N
XLogP2.88
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole (CID 103123681) is 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole is BrCc1ncoc1-c1cnn2ccccc12.
What is the InChIKey of 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole?
The InChIKey is RZBJNJGZOXFCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-5-9-11(16-7-13-9)8-6-14-15-4-2-1-3-10(8)15/h1-4,6-7H,5H2.
What are the key properties of 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole?
4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole has a molecular weight of 278.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 103123681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).